Memory segmentation error when running AWSEMMD-LAMMPS

[amityandersen]

Hello,

I got the following segmentation fault for the 1CTA example:

[1CTA_Dimer_Binding]$ ../../../../lammps-24Jan24/src/lmp_mpi -in 1cta.in
LAMMPS (21 Nov 2023)
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (../comm.cpp:98)
using 1 OpenMP thread(s) per MPI task
[1] Caught signal 11 (Segmentation fault: address not mapped to object at address 0xac8)
==== backtrace (tid: 133800) ====
0 0x0000000000085c84 __GI___libc_realloc() :0
1 0x00000000004e1ab6 LAMMPS_NS::Memory::srealloc() /cluster/apps/lammps/lammps-24Jan24/src/Obj_mpi/../memory.cpp:100
2 0x000000000100adbe LAMMPS_NS::Memory::grow() /cluster/apps/lammps/lammps-24Jan24/src/Obj_mpi/../memory.h:79
3 0x00000000009b9f17 LAMMPS_NS::Atom::create_avec() /cluster/apps/lammps/lammps-24Jan24/src/Obj_mpi/../atom.cpp:669
4 0x0000000000482c0f LAMMPS_NS::Input::atom_style() /cluster/apps/lammps/lammps-24Jan24/src/Obj_mpi/../input.cpp:1385
5 0x0000000000482c0f std::__cxx11::basic_string<char, std::char_traits, std::allocator >::_M_is_local() /cluster/apps/spack-v0.16/opt/spack/linux-centos7-cascadelake/gcc-10.2.0/gcc-10.2.0-jzlfgd6hqi6cvfpgrm5zgy6aex7eqo3e/include/c++/10.2.0/bits/basic_string.h:222
6 0x0000000000482c0f std::__cxx11::basic_string<char, std::char_traits, std::allocator >::_M_dispose() /cluster/apps/spack-v0.16/opt/spack/linux-centos7-cascadelake/gcc-10.2.0/gcc-10.2.0-jzlfgd6hqi6cvfpgrm5zgy6aex7eqo3e/include/c++/10.2.0/bits/basic_string.h:231
7 0x0000000000482c0f std::__cxx11::basic_string<char, std::char_traits, std::allocator >::~basic_string() /cluster/apps/spack-v0.16/opt/spack/linux-centos7-cascadelake/gcc-10.2.0/gcc-10.2.0-jzlfgd6hqi6cvfpgrm5zgy6aex7eqo3e/include/c++/10.2.0/bits/basic_string.h:658
8 0x0000000000482c0f LAMMPS_NS::Input::atom_style() /cluster/apps/lammps/lammps-24Jan24/src/Obj_mpi/../input.cpp:1385
9 0x0000000000489342 LAMMPS_NS::Input::execute_command() /cluster/apps/lammps/lammps-24Jan24/src/Obj_mpi/../input.cpp:787
10 0x000000000048992b LAMMPS_NS::Input::file() /cluster/apps/lammps/lammps-24Jan24/src/Obj_mpi/../input.cpp:313
11 0x000000000047ba58 main() /cluster/apps/lammps/lammps-24Jan24/src/Obj_mpi/../main.cpp:77
12 0x0000000000022555 __libc_start_main() ???:0
13 0x000000000047d7af _start() ???:0

[tlogin1:133800] *** Process received signal ***
[tlogin1:133800] Signal: Segmentation fault (11)
[tlogin1:133800] Signal code: (-6)
[tlogin1:133800] Failing at address: 0x7b2f00020aa8
[tlogin1:133800] [ 0] /lib64/libpthread.so.0(+0xf630)[0x2b19e5991630]
[tlogin1:133800] [ 1] /lib64/libc.so.6(realloc+0x44)[0x2b19e6c82c84]
[tlogin1:133800] [ 2] ../../../../lammps-24Jan24/src/lmp_mpi[0x4e1ab6]
[tlogin1:133800] [ 3] ../../../../lammps-24Jan24/src/lmp_mpi[0x100adbe]
[tlogin1:133800] [ 4] ../../../../lammps-24Jan24/src/lmp_mpi[0x9b9f17]
[tlogin1:133800] [ 5] ../../../../lammps-24Jan24/src/lmp_mpi[0x482c0f]
[tlogin1:133800] [ 6] ../../../../lammps-24Jan24/src/lmp_mpi[0x489342]
[tlogin1:133800] [ 7] ../../../../lammps-24Jan24/src/lmp_mpi[0x48992b]
[tlogin1:133800] [ 8] ../../../../lammps-24Jan24/src/lmp_mpi[0x47ba58]
[tlogin1:133800] [ 9] /lib64/libc.so.6(__libc_start_main+0xf5)[0x2b19e6c1f555]
[tlogin1:133800] [10] ../../../../lammps-24Jan24/src/lmp_mpi[0x47d7af]
[tlogin1:133800] *** End of error message ***
Segmentation fault